LCPOForce.cpp

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 *                                   OpenMM                                   *
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 * This is part of the OpenMM molecular simulation toolkit.                   *
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 * Authors: Peter Eastman, Evan Pretti                                        *
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#include "openmm/Force.h"
#include "openmm/LCPOForce.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/internal/LCPOForceImpl.h"

using namespace OpenMM;
using namespace std;

LCPOForce::LCPOForce() : usePeriodic(false), surfaceTension(1.0) {
}

void LCPOForce::setUsesPeriodicBoundaryConditions(bool periodic) {
    usePeriodic = periodic;
}

double LCPOForce::getSurfaceTension() const {
    return surfaceTension;
}

void LCPOForce::setSurfaceTension(double surfaceTension) {
    this->surfaceTension = surfaceTension;
}

int LCPOForce::getNumParticles() const {
    return particles.size();
}

int LCPOForce::addParticle(double radius, double p1, double p2, double p3, double p4) {
    particles.push_back(ParticleInfo(radius, p1, p2, p3, p4));
    return particles.size() - 1;
}

void LCPOForce::getParticleParameters(int index, double& radius, double& p1, double& p2, double& p3, double& p4) const {
    ASSERT_VALID_INDEX(index, particles);
    const ParticleInfo& info = particles[index];
    radius = info.radius;
    p1 = info.p1;
    p2 = info.p2;
    p3 = info.p3;
    p4 = info.p4;
}

void LCPOForce::setParticleParameters(int index, double radius, double p1, double p2, double p3, double p4) {
    ASSERT_VALID_INDEX(index, particles);
    ParticleInfo& info = particles[index];
    info.radius = radius;
    info.p1 = p1;
    info.p2 = p2;
    info.p3 = p3;
    info.p4 = p4;
}

void LCPOForce::updateParametersInContext(Context& context) {
    dynamic_cast<LCPOForceImpl&>(getImplInContext(context)).updateParametersInContext(getContextImpl(context));
}

bool LCPOForce::usesPeriodicBoundaryConditions() const {
    return usePeriodic;
}

ForceImpl* LCPOForce::createImpl() const {
    return new LCPOForceImpl(*this);
}